haddocking / molmod-dataLinks
Data files for the molecular modelling course
☆13Updated 2 years ago
Alternatives and similar repositories for molmod-data
Users that are interested in molmod-data are comparing it to the libraries listed below
Sorting:
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 11 years ago
- Personal Notes☆23Updated 6 months ago
- PyMOL Plugin for displaying polar contacts☆18Updated 6 years ago
- An MPI based parallel implementation of Autodock Vina☆17Updated 5 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆15Updated 5 years ago
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆17Updated last year
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- The code for the QuickVina homepage.☆36Updated 3 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- Peptide Virtual Screening Pipeline☆12Updated 6 years ago
- ☆30Updated 8 months ago
- Self explained tutorial for molecular dynamics simulation using gromacs☆43Updated last year
- A Generalised workflow for obtaining protein and peptide molecular structures, docking the peptide into the protein and running a molecul…☆15Updated last year
- Perform operations on chemical structures using Python.☆13Updated 3 years ago
- Workshops on Computational Biology organized by our lab☆10Updated last year
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 4 years ago
- PCA and normal mode analysis of proteins☆20Updated last year
- Some notes (cookbook) for pyMol. Protein Crystallography course.☆15Updated 4 years ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Updated 6 months ago
- PyPEF – Pythonic Protein Engineering Framework☆25Updated 4 months ago
- Computational Analysis of Novel Drug Opportunities☆40Updated 3 weeks ago
- A unified and modular interface to homology modelling software☆11Updated 2 years ago
- MD pharmacophores and virtual screening☆34Updated 2 years ago
- Automated construction of protein chimeras and their analysis.☆15Updated 2 years ago
- Material to run the HADDOCK antibody-antigen modelling protocol☆23Updated this week
- Python code to automatically interact with PDBePISA web server☆10Updated 3 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago